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Compound Detail

CHEMBL3954611

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CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3954611
Phase Preclinical
Structure Type MOL
InChI Key QCLGSWNTPVHHLA-NYYWCZLTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
2.86
ALogP
5
HBA
1
HBD
106.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N2O5S
MW 346.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 5.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Molecular identity unknown
CHEMBL612546
 IC50 5.36 5.36 4400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Molecular identity unknown IC50 = 4400.0 nM 5.36 Antifilarial activity against Brugia malayi microfilariae isolated from peritone... 27592395

Literature References

PubMed DOI Target Context # Activities
27592395 10.1016/j.ejmech.2016.08.042 Molecular identity unknown 2
27592395 10.1016/j.ejmech.2016.08.042 NON-PROTEIN TARGET 1
27592395 10.1016/j.ejmech.2016.08.042 Brugia malayi 1

Data from ChEMBL 36 via Core Engine